1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone

C11H14O2 — CID 89197946

IUPAC1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone
SMILESC=CC1=C(OC)C=C(C(C)=O)CC1
InChIInChI=1S/C11H14O2/c1-4-9-5-6-10(8(2)12)7-11(9)13-3/h4,7H,1,5-6H2,2-3H3
InChIKeyCYVGBSLREZJMHV-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone

1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone (PubChem CID 89197946) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone
PubChem CID89197946
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone
SMILESC=CC1=C(OC)C=C(C(C)=O)CC1
InChIInChI=1S/C11H14O2/c1-4-9-5-6-10(8(2)12)7-11(9)13-3/h4,7H,1,5-6H2,2-3H3
InChIKeyCYVGBSLREZJMHV-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone?
The IUPAC name of 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone (CID 89197946) is 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone?
The canonical SMILES for 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone is C=CC1=C(OC)C=C(C(C)=O)CC1.
What is the InChIKey of 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone?
The InChIKey is CYVGBSLREZJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-9-5-6-10(8(2)12)7-11(9)13-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone?
1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-3-methoxycyclohexa-1,3-dien-1-yl)ethanone is sourced from PubChem (CID 89197946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).